2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide

C23H18N4O3 — CID 9399217

IUPAC2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccccc2C(N)=O)cc1
InChIInChI=1S/C23H18N4O3/c1-14-25-20-9-5-3-7-18(20)23(30)27(14)16-12-10-15(11-13-16)22(29)26-19-8-4-2-6-17(19)21(24)28/h2-13H,1H3,(H2,24,28)(H,26,29)
InChIKeyZOBGWAQXZZKIRQ-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.05
Rot. Bonds4

About 2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide

2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide (PubChem CID 9399217) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide
PubChem CID9399217
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccccc2C(N)=O)cc1
InChIInChI=1S/C23H18N4O3/c1-14-25-20-9-5-3-7-18(20)23(30)27(14)16-12-10-15(11-13-16)22(29)26-19-8-4-2-6-17(19)21(24)28/h2-13H,1H3,(H2,24,28)(H,26,29)
InChIKeyZOBGWAQXZZKIRQ-UHFFFAOYSA-N
XLogP3.05
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 43027483
N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46809727
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
CID 7593064
methyl 3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiophene-2-carboxylate
CID 36670505
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 39777242
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32624561
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 55661317
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39776818
1-benzyl-3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiourea
CID 35785421
2-[(4-hydroxybenzoyl)amino]benzamide
CID 110462650

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide?
The IUPAC name of 2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide (CID 9399217) is 2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide?
The canonical SMILES for 2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide is Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide?
The InChIKey is ZOBGWAQXZZKIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-14-25-20-9-5-3-7-18(20)23(30)27(14)16-12-10-15(11-13-16)22(29)26-19-8-4-2-6-17(19)21(24)28/h2-13H,1H3,(H2,24,28)(H,26,29).
What are the key properties of 2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide?
2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide has a molecular weight of 398.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 9399217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).